Geometry & MOs

Info

ID:	134963
PubChem CID:	51790154
Reduced:	ClN2O2C27H29 (1)
Stoich.:	AB2C2D27E29 (1)
Weight, g/mol:	526.169306
ΔH_f, kcal/mol:	-37.86
Dipole, Da:	4.31
IP(EA), eV:	-9.27(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chlorophenyl)-N-[(2S)-1-[(4-methylphenyl)sulfonylmethylamino]-1-oxoheptan-2-yl]benzamide

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@@H]([C@@H](C)C1=CC=CC=C1)N(C2=CC=CC=C2Cl)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations